Molecule FYI-1003365

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A

Molecule Summary:

ID: FYI-1003365
Names:
InChIKey: LAVARTIQQDZFNT-UHFFFAOYSA-N
SMILES: COCC(C)OCC(C)OC(C)=O

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003365 Edit

Molecule Structure InChIKey: LAVARTIQQDZFNT-UHFFFAOYSA-N

Molecule Structure SMILES String: COCC(C)OCC(C)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003365
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773    2.5038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0227    2.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636    2.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    2.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8879    1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680    2.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9479    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033    3.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003365-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
    0.8475   -0.5521    0.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786    0.2319   -0.5152 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045    1.4985   -0.1915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0299    0.0279   -0.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780   -0.8309   -0.4214 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4834   -1.0961   -0.0850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0831   -1.4548   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114    0.1945    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443   -2.2474   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837   -1.1555    1.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0167    0.6994   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    2.4980    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    2.1866   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233   -0.7236   -1.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1972   -1.7924   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -2.4902   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363   -1.3693   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.1323    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452    0.0156   -0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0911   -2.9966   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268   -2.4034   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -2.4627    1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173   -1.0565    1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085   -2.1113    1.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169   -0.3457    1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    3.4747    0.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5812    2.3629    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5240    2.4737    1.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6598    2.6609   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685    2.4391    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9579    2.5550    0.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

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2023-07-01, 3182👍, 0💬